1.0 2010-04-08 22:15:14 UTC 2019-11-26 03:19:22 UTC FDB020739 Ipomeabisfuran Isolated from Ipomoea batatas (sweet potato) infected with Ceratocystis fimbriata. Ipomeabisfuran is found in root vegetables and potato. 2,3,4,5-Tetrahydro-5-methyl-5-[(4-methyl-2-furanyl)methyl]-2,3'-bifuran, 9CI C15H18O3 246.3016 246.125594442 2-{[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl}-4-methylfuran 2-{[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl}-4-methylfuran 92541-62-3 CC1=COC(CC2(C)CCC(O2)C2=COC=C2)=C1 InChI=1S/C15H18O3/c1-11-7-13(17-9-11)8-15(2)5-3-14(18-15)12-4-6-16-10-12/h4,6-7,9-10,14H,3,5,8H2,1-2H3 LMSPQIDVRZANSJ-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Dialkyl ethers Furans Hydrocarbon derivatives Oxacyclic compounds Tetrahydrofurans Aromatic heteromonocyclic compound Dialkyl ether Ether Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp 3.51 ALOGPS logs -3.95 ALOGPS solubility 2.75e-02 g/l ALOGPS logp 3.15 ChemAxon pka_strongest_basic -2.1 ChemAxon iupac 2-{[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl}-4-methylfuran ChemAxon average_mass 246.3016 ChemAxon mono_mass 246.125594442 ChemAxon smiles CC1=COC(CC2(C)CCC(O2)C2=COC=C2)=C1 ChemAxon formula C15H18O3 ChemAxon inchi InChI=1S/C15H18O3/c1-11-7-13(17-9-11)8-15(2)5-3-14(18-15)12-4-6-16-10-12/h4,6-7,9-10,14H,3,5,8H2,1-2H3 ChemAxon inchikey LMSPQIDVRZANSJ-UHFFFAOYSA-N ChemAxon polar_surface_area 35.51 ChemAxon refractivity 68.57 ChemAxon polarizability 27.12 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17367 Specdb::CMs 135704 Specdb::CMs 143438 Specdb::MsMs 11792 Specdb::MsMs 11793 Specdb::MsMs 11794 Specdb::MsMs 18464 Specdb::MsMs 18465 Specdb::MsMs 18466 Specdb::MsMs 2826415 Specdb::MsMs 2826416 Specdb::MsMs 2826417 Specdb::MsMs 2855752 Specdb::MsMs 2855753 Specdb::MsMs 2855754 HMDB40903 #<Reference:0x000055ce322d00b8> Potato Type 1 specific Solanum tuberosum 4113 Root vegetables Unknown generic